SCHEMBL6318605

SCHEMBL6318605

CCNP(=O)(NCC)C(CNc1cnc(C)cn1)c1ccc(O)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
ROCK2 O75116 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESR1 P03372 1/20 0.30
AR P10275 1/20 0.30
ESR2 Q92731 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6324258 0.87 NOTUM (0.33) NOTUM
SCHEMBL6322811 0.76 NR3C1 (0.33) NOTUMESR1ESR2
SCHEMBL6324641 0.71 BACE1 (0.35) NOTUM
SCHEMBL6324637 0.71 BACE1 (0.35) NOTUM
SCHEMBL6325748 0.70 NOTUM (0.32) NOTUMLMNAMAPTESR2
SCHEMBL6326014 0.69
SCHEMBL6318706 0.69 ABL1 (0.30)
SCHEMBL6306472 0.67 L3MBTL1 (0.38) NOTUM
SCHEMBL6325913 0.67 FOS (0.39) MAPT
SCHEMBL6324863 0.67 L3MBTL1 (0.33) NOTUM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562947-A1 4-AMINO-5-PHENYL-7-CYCLOHEXYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES Novartis AG (CH) 2005-08-17 EP claimed
US-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 US claimed
WO-2004043962-A1 4-AMINO-5-PHENYL-7-CYCLOHEXYL-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2004-05-27 WO claimed
US-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels APOB, LDLR, LPL NOTUM 3343/4885ROCK2 3149/4885MAPK1 3059/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.